N-(2-bromoethyl)-2-propan-2-yloxyethanamine

C7H16BrNO — CID 114505264

IUPACN-(2-bromoethyl)-2-propan-2-yloxyethanamine
SMILESCC(C)OCCNCCBr
InChIInChI=1S/C7H16BrNO/c1-7(2)10-6-5-9-4-3-8/h7,9H,3-6H2,1-2H3
InChIKeyYMSJYMOKKFWSTC-UHFFFAOYSA-N
MW210.11 g/mol
LogP1.40
Rot. Bonds6

About N-(2-bromoethyl)-2-propan-2-yloxyethanamine

N-(2-bromoethyl)-2-propan-2-yloxyethanamine (PubChem CID 114505264) has the molecular formula C7H16BrNO and a molecular weight of 210.11 g/mol. Its IUPAC name is N-(2-bromoethyl)-2-propan-2-yloxyethanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-2-propan-2-yloxyethanamine
PubChem CID114505264
Molecular FormulaC7H16BrNO
Molecular Weight210.11 g/mol
Exact Mass209.04
IUPAC NameN-(2-bromoethyl)-2-propan-2-yloxyethanamine
SMILESCC(C)OCCNCCBr
InChIInChI=1S/C7H16BrNO/c1-7(2)10-6-5-9-4-3-8/h7,9H,3-6H2,1-2H3
InChIKeyYMSJYMOKKFWSTC-UHFFFAOYSA-N
XLogP1.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.11
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N'-[2-(2-propan-2-yloxyethylamino)ethyl]propane-1,3-diamine
CID 149204249
N'-methyl-N'-propan-2-yl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 62641029
5-chloro-N-(2-propan-2-yloxyethyl)pentan-1-amine
CID 107319832
2-(2-propan-2-yloxyethylamino)ethyl 2-methylpropanoate
CID 134214872
N-(2-ethylsulfanylethyl)-2-propan-2-yloxyethanamine
CID 104669061
2,3-dimethyl-N-(2-propan-2-yloxyethyl)butan-1-amine
CID 64571150
4-methyl-1-(2-propan-2-yloxyethylamino)pentan-3-one
CID 134214874
2-cyclopentyloxy-N-(2-propan-2-yloxyethyl)ethanamine
CID 63826960
N-(2-propan-2-yloxyethyl)propan-2-amine
CID 21034307
(2S)-3-(2-propan-2-yloxyethylamino)propane-1,2-diol
CID 104760155
2-methyl-3-methylsulfanyl-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 63965623
N-(2-propan-2-yloxyethyl)-2-pyridin-4-ylethanamine
CID 61485275

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2-propan-2-yloxyethanamine?
The IUPAC name of N-(2-bromoethyl)-2-propan-2-yloxyethanamine (CID 114505264) is N-(2-bromoethyl)-2-propan-2-yloxyethanamine.
What is the SMILES notation for N-(2-bromoethyl)-2-propan-2-yloxyethanamine?
The canonical SMILES for N-(2-bromoethyl)-2-propan-2-yloxyethanamine is CC(C)OCCNCCBr.
What is the InChIKey of N-(2-bromoethyl)-2-propan-2-yloxyethanamine?
The InChIKey is YMSJYMOKKFWSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16BrNO/c1-7(2)10-6-5-9-4-3-8/h7,9H,3-6H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-2-propan-2-yloxyethanamine?
N-(2-bromoethyl)-2-propan-2-yloxyethanamine has a molecular weight of 210.11 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2-propan-2-yloxyethanamine is sourced from PubChem (CID 114505264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).